N-[2-[(2Z)-2-[(4-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide
Formula:C23H20N4O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[2-[(2Z)-2-[(4-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide is a drug-like molecule.
| MolName | N-[2-[(2Z)-2-[(4-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide |
| MolecularFormula | C23H20N4O4 |
| Smiles | [O-][N+](c1ccc(/C=N\NC(CNC(C(c2ccccc2)c2ccccc2)=O)=O)cc1)=O |
| InChI | InChI=1S/C23H20N4O4/c28-21(26-25-15-17-11-13-20(14-12-17)27(30)31)16-24-23(29)22(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-15,22H,16H2,(H,24,29)(H,26,28) |
| InChIK | HZELBIARXPUIAB-UHFFFAOYSA-N |
| TotalMolweight | 416.436 |
| Molweight | 416.436 |
| MonoisotopicMass | 416.148456 |
| CLogP | 2.8894 |
| CLogS | -5.062 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 325.89 |
| Relative PSA | 0.27902 |
| PolarSurfaceArea | 116.38 |
| Druglikeness | 1.2117 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58065 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 10 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[2-[(2Z)-2-[(4-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide | 2 - N-[2-[(2Z)-2-[(4-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off